DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on MnSi(AgTe2)2 by Materials Project

Abstract

MnSi(AgTe2)2 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent SiTe4 tetrahedra and corners with eight equivalent AgTe4 tetrahedra. There are a spread of Mn–Te bond distances ranging from 2.70–2.80 Å. Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra, corners with four equivalent AgTe4 tetrahedra, and corners with four equivalent SiTe4 tetrahedra. There are a spread of Ag–Te bond distances ranging from 2.79–2.84 Å. Si4+ is bonded to four Te2- atoms to form SiTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight equivalent AgTe4 tetrahedra. There are one shorter (2.54 Å) and three longer (2.57 Å) Si–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing TeMnSiAg2 tetrahedra. In the second Te2- site, Te2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing TeMnSiAg2 tetrahedra. In the third Te2- site, Te2- is bonded to onemore » Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing TeMnSiAg2 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1210667
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MnSi(AgTe2)2; Ag-Mn-Si-Te
OSTI Identifier:
1672946
DOI:
https://doi.org/10.17188/1672946

Citation Formats

The Materials Project. Materials Data on MnSi(AgTe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672946.
The Materials Project. Materials Data on MnSi(AgTe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1672946
The Materials Project. 2020. "Materials Data on MnSi(AgTe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1672946. https://www.osti.gov/servlets/purl/1672946. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1672946,
title = {Materials Data on MnSi(AgTe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnSi(AgTe2)2 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Mn2+ is bonded to four Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent SiTe4 tetrahedra and corners with eight equivalent AgTe4 tetrahedra. There are a spread of Mn–Te bond distances ranging from 2.70–2.80 Å. Ag1+ is bonded to four Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra, corners with four equivalent AgTe4 tetrahedra, and corners with four equivalent SiTe4 tetrahedra. There are a spread of Ag–Te bond distances ranging from 2.79–2.84 Å. Si4+ is bonded to four Te2- atoms to form SiTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight equivalent AgTe4 tetrahedra. There are one shorter (2.54 Å) and three longer (2.57 Å) Si–Te bond lengths. There are three inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing TeMnSiAg2 tetrahedra. In the second Te2- site, Te2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing TeMnSiAg2 tetrahedra. In the third Te2- site, Te2- is bonded to one Mn2+, two equivalent Ag1+, and one Si4+ atom to form corner-sharing TeMnSiAg2 tetrahedra.},
doi = {10.17188/1672946},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}